density
DensityFilterQuery
dataclass
Query for filtering AlphaFoldDB structures based on density confidence.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
confidence
|
float
|
The confidence threshold for filtering residues. Residues with a pLDDT (b-factor) above this value are considered high confidence. |
required |
min_threshold
|
int
|
The minimum number of high-confidence residues required to keep the structure. |
required |
max_threshold
|
int
|
The maximum number of high-confidence residues allowed to keep the structure. |
required |
DensityFilterResult
dataclass
Result of filtering AlphaFoldDB structures based on density confidence.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
pdb_file
|
str
|
The name of the PDB file that was processed. |
required |
count
|
int
|
The number of residues with a pLDDT above the confidence threshold. |
required |
density_filtered_file
|
Path | None
|
The path to the density filtered PDB file, if passed filter. |
None
|
filter_on_density(alphafold_pdb_files, query, density_filtered_dir)
Filter AlphaFoldDB structures based on density confidence.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
alphafold_pdb_files
|
list[Path]
|
List of PDB files from AlphaFoldDB to filter. |
required |
query
|
DensityFilterQuery
|
The density filter query containing the confidence thresholds. |
required |
density_filtered_dir
|
Path
|
Directory where the filtered PDB files will be saved. |
required |
Yields:
Type | Description |
---|---|
Generator[DensityFilterResult]
|
For each PDB files yields whether it was filtered or not, and number of residues with pLDDT above the confidence threshold. |